己酸丁酯;天然 己酸丁酯（CAS 626-82-4）：分子式 C10H20O2、分子量 172.26。
| CAS号 | 626-82-4 |
|---|---|
| 分子式 | C10H20O2 |
| 分子量 | 172.26 |
| 熔点 | -68.4 °C |
| 沸点 | 208.00 °C. @ 760.00 mm Hg |
| LogP | 3.3 |
| 应用领域 | 香精香料 |
登记用途：香精香料。
己酸丁酯;天然 己酸丁酯 是一种化工化合物，登记 CAS 号为 626-82-4，分子式 C10H20O2（分子量 172.26）。
登记 CAS 号：626-82-4
其分子式 C10H20O2 由 10 个碳、20 个氢、2 个氧 组成。
别名/同义词：己酸丁酯;天然 己酸丁酯 · butyl caproate · Butyl hexanoate
己酸丁酯;天然 己酸丁酯 的 CAS 登记号为 626-82-4。
分子式 C10H20O2，分子量 172.26。
别名/同义词：己酸丁酯;天然 己酸丁酯、butyl caproate、Butyl hexanoate。
登记用途：香精香料。
己酸丁酯;天然 己酸丁酯（CAS 626-82-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 626-82-4 |
|---|---|
| PubChem CID | 12294 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | butyl hexanoate |
| InChIKey | RPRPDTXKGSIXMD-UHFFFAOYSA-N |
| UNII (FDA) | EBK588Q27T |
| ChEBI ID | CHEBI:89561 |
| FEMA number | 2201 |
| JECFA number | 162 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 208.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 208 °C |
| Melting Point | -68.4 °C |
| Density | 0.8623 |
| Refractive Index | 1.414-1.417 |
Butyl hexanoate; 626-82-4; Hexanoic acid, butyl ester; N-BUTYL HEXANOATE; FEMA No. 2201; NSC-4022; DTXSID8060824; CHEBI:89561; RefChem:1080385; DTXCID0043422; 210-964-6; Butyl caproate; Hexanoic Acid Butyl Ester; n-Caproic acid n-butyl ester; n-Butyl caproate; n-Butyl n-hexanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Grass, Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (141 / 141) |
| GHS notification summary | 100% (141 / 141) |
|---|
This chemical does not meet GHS hazard criteria for 100% (141 of 141) of all reports.
Reported as not meeting GHS hazard criteria by 141 of 141 companies. For more detailed information, please visit ECHA C&L website.
Butyl hexanoate is identified by CAS 626-82-4, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII EBK588Q27T; ChEBI 89561; InChIKey RPRPDTXKGSIXMD-UHFFFAOYSA-N. Boiling Point: 208.00 °C. @ 760.00 mm Hg; Boiling Point: 208 °C; Melting Point: -68.4 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: butyl caproate